4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide

C16H22N6O2 — CID 162654901

IUPAC4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H22N6O2/c23-16(19-24)13-8-6-12(7-9-13)10-17-11-15-18-20-21-22(15)14-4-2-1-3-5-14/h6-9,14,17,24H,1-5,10-11H2,(H,19,23)
InChIKeyLBVQCGLXYULKBQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.59
Rot. Bonds6

About 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide

4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (PubChem CID 162654901) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
PubChem CID162654901
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H22N6O2/c23-16(19-24)13-8-6-12(7-9-13)10-17-11-15-18-20-21-22(15)14-4-2-1-3-5-14/h6-9,14,17,24H,1-5,10-11H2,(H,19,23)
InChIKeyLBVQCGLXYULKBQ-UHFFFAOYSA-N
XLogP1.59
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (CID 162654901) is 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNCc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The InChIKey is LBVQCGLXYULKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-16(19-24)13-8-6-12(7-9-13)10-17-11-15-18-20-21-22(15)14-4-2-1-3-5-14/h6-9,14,17,24H,1-5,10-11H2,(H,19,23).
What are the key properties of 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide has a molecular weight of 330.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162654901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).